Information card for entry 4106242

Structure parameters

• Formula: Cl2 Tc
• Calculated formula: Cl2 Tc
• SMILES: [Tc+2].[Cl-].[Cl-]
• Title of publication: Technetium Dichloride: A New Binary Halide Containing Metal-Metal Multiple Bonds
• Authors of publication: Frederic Poineau; Christos D. Malliakas; Philippe F. Weck; Brian L. Scott; Erik V. Johnstone; Paul M. Forster; Eunja Kim; Mercouri G. Kanatzidis; Kenneth R. Czerwinski; Alfred P. Sattelberger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 8814 - 8817
• a: 8.557 ± 0.003 Å
• b: 8.557 ± 0.003 Å
• c: 3.417 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 250.2 ± 0.19 ų
• Cell temperature: 140 ± 1 K
• Ambient diffraction temperature: 140 ± 1 K
• Number of distinct elements: 2
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No